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大分子结构测定过程中的持续验证

Continuous Validation Across Macromolecular Structure Determination Process.

作者信息

Bijak Vanessa, Gucwa Michal, Lenkiewicz Joanna, Murzyn Krzysztof, Cooper David R, Minor Wladek

机构信息

Department of Molecular Physiology and Biological Physics, University of Virginia.

Department of Computational Biophysics and Bioinformatics, Jagiellonian University.

出版信息

Nihon Kessho Gakkaishi. 2023 Feb 28;65(1):10-16. doi: 10.5940/jcrsj.65.10. Epub 2023 Mar 8.

Abstract

The overall quality of the experimentally determined structures contained in the PDB is exceptionally high, mainly due to the continuous improvement of model building and structural validation programs. Improving reproducibility on a large scale requires expanding the concept of validation in structural biology and all other disciplines to include a broader framework that encompasses the entire project. A successful approach to science requires diligent attention to detail and a focus on the future. An earnest commitment to data availability and reuse is essential for scientific progress, be that by human minds or artificial intelligence.

摘要

蛋白质数据银行(PDB)中包含的实验测定结构的整体质量非常高,这主要归功于模型构建和结构验证程序的不断改进。要在大规模上提高可重复性,需要扩展结构生物学和所有其他学科中的验证概念,以纳入一个涵盖整个项目的更广泛框架。成功的科学方法需要对细节的认真关注和对未来的关注。对数据可用性和再利用的认真承诺对于科学进步至关重要,无论是通过人类思维还是人工智能。

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